(1E)-methylsulfinamoyloxyiminoethane

C3H8N2O2S — CID 89222351

IUPAC(1E)-methylsulfinamoyloxyiminoethane
SMILESC/C=N/OS(=O)NC
InChIInChI=1S/C3H8N2O2S/c1-3-5-7-8(6)4-2/h3-4H,1-2H3/b5-3+
InChIKeyKSRJYRBEMWNNBJ-HWKANZROSA-N
MW136.18 g/mol
LogP-0.19
Rot. Bonds3

About (1E)-methylsulfinamoyloxyiminoethane

(1E)-methylsulfinamoyloxyiminoethane (PubChem CID 89222351) has the molecular formula C3H8N2O2S and a molecular weight of 136.18 g/mol. Its IUPAC name is (1E)-methylsulfinamoyloxyiminoethane.

Molecular Properties

Compound Name(1E)-methylsulfinamoyloxyiminoethane
PubChem CID89222351
Molecular FormulaC3H8N2O2S
Molecular Weight136.18 g/mol
Exact Mass136.03
IUPAC Name(1E)-methylsulfinamoyloxyiminoethane
SMILESC/C=N/OS(=O)NC
InChIInChI=1S/C3H8N2O2S/c1-3-5-7-8(6)4-2/h3-4H,1-2H3/b5-3+
InChIKeyKSRJYRBEMWNNBJ-HWKANZROSA-N
XLogP-0.19
TPSA50.69 Ų
H-Bond Donors1
H-Bond Acceptors3
Rotatable Bonds3
Heavy Atoms8
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500136.18
LogP ≤ 5-0.19
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 103

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'imine_1', 'substructure': 'N/A'}, {'alert_name': 'Oxygen-nitrogen_single_bond', 'substructure': 'N/A'}

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Frequently Asked Questions

What is the IUPAC name of (1E)-methylsulfinamoyloxyiminoethane?
The IUPAC name of (1E)-methylsulfinamoyloxyiminoethane (CID 89222351) is (1E)-methylsulfinamoyloxyiminoethane.
What is the SMILES notation for (1E)-methylsulfinamoyloxyiminoethane?
The canonical SMILES for (1E)-methylsulfinamoyloxyiminoethane is C/C=N/OS(=O)NC.
What is the InChIKey of (1E)-methylsulfinamoyloxyiminoethane?
The InChIKey is KSRJYRBEMWNNBJ-HWKANZROSA-N. The full InChI is InChI=1S/C3H8N2O2S/c1-3-5-7-8(6)4-2/h3-4H,1-2H3/b5-3+.
What are the key properties of (1E)-methylsulfinamoyloxyiminoethane?
(1E)-methylsulfinamoyloxyiminoethane has a molecular weight of 136.18 g/mol, XLogP of -0.19, 3 rotatable bonds, 1 hydrogen bond donors, and 3 hydrogen bond acceptors.
Where does this data come from?
All data for (1E)-methylsulfinamoyloxyiminoethane is sourced from PubChem (CID 89222351), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).